[2-(hydrazinecarbonyl)-4-methoxy-3-nitrobenzoyl] 3,4-diphenylfuran-2-carboxylate

C26H19N3O8 — CID 87605024

IUPAC[2-(hydrazinecarbonyl)-4-methoxy-3-nitrobenzoyl] 3,4-diphenylfuran-2-carboxylate
SMILESCOc1ccc(C(=O)OC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)c(C(=O)NN)c1[N+](=O)[O-]
InChIInChI=1S/C26H19N3O8/c1-35-19-13-12-17(21(24(30)28-27)22(19)29(33)34)25(31)37-26(32)23-20(16-10-6-3-7-11-16)18(14-36-23)15-8-4-2-5-9-15/h2-14H,27H2,1H3,(H,28,30)
InChIKeyFKMULLSDUYJLTJ-UHFFFAOYSA-N
MW501.45 g/mol
LogP4.13
Rot. Bonds7

About [2-(hydrazinecarbonyl)-4-methoxy-3-nitrobenzoyl] 3,4-diphenylfuran-2-carboxylate

[2-(hydrazinecarbonyl)-4-methoxy-3-nitrobenzoyl] 3,4-diphenylfuran-2-carboxylate (PubChem CID 87605024) has the molecular formula C26H19N3O8 and a molecular weight of 501.45 g/mol. Its IUPAC name is [2-(hydrazinecarbonyl)-4-methoxy-3-nitrobenzoyl] 3,4-diphenylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-(hydrazinecarbonyl)-4-methoxy-3-nitrobenzoyl] 3,4-diphenylfuran-2-carboxylate
PubChem CID87605024
Molecular FormulaC26H19N3O8
Molecular Weight501.45 g/mol
Exact Mass501.12
IUPAC Name[2-(hydrazinecarbonyl)-4-methoxy-3-nitrobenzoyl] 3,4-diphenylfuran-2-carboxylate
SMILESCOc1ccc(C(=O)OC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)c(C(=O)NN)c1[N+](=O)[O-]
InChIInChI=1S/C26H19N3O8/c1-35-19-13-12-17(21(24(30)28-27)22(19)29(33)34)25(31)37-26(32)23-20(16-10-6-3-7-11-16)18(14-36-23)15-8-4-2-5-9-15/h2-14H,27H2,1H3,(H,28,30)
InChIKeyFKMULLSDUYJLTJ-UHFFFAOYSA-N
XLogP4.13
TPSA164.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.45
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-(hydrazinecarbonyl)-4-methoxy-3-nitrobenzoyl] 3,4-diphenylfuran-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(hydrazinecarbonyl)-4-hydroxy-3-nitrobenzoyl] 3-(4-pentylphenyl)furan-2-carboxylate
CID 87603977
[2-(hydrazinecarbonyl)-4-hydroxy-3-nitrobenzoyl] 3-(3-but-2-en-2-yloxyphenyl)furan-2-carboxylate
CID 91031022
N'-(3-amino-4-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
CID 68862321
4-methoxy-3-nitrophthalic acid
CID 22663212
trimethyl 6-(4-nitrophenyl)-3-phenylbenzene-1,2,4-tricarboxylate
CID 102205935
methyl 2,6-dimethoxy-3-phenylbenzoate
CID 142664398
2,4,6-trimethyl-3,5-diphenylbenzohydrazide
CID 150299746
2,6-dimethoxybenzohydrazide
CID 2806104
methyl 2-phenyl-4-(2,3,4-trimethoxybenzoyl)furan-3-carboxylate
CID 56955596
dimethyl 2-(3-methoxy-2-nitro-4-phenylphenyl)propanedioate
CID 150156401
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229241
3-hydroxy-4-methoxy-2-nitrobenzoic acid
CID 12954168

Frequently Asked Questions

What is the IUPAC name of [2-(hydrazinecarbonyl)-4-methoxy-3-nitrobenzoyl] 3,4-diphenylfuran-2-carboxylate?
The IUPAC name of [2-(hydrazinecarbonyl)-4-methoxy-3-nitrobenzoyl] 3,4-diphenylfuran-2-carboxylate (CID 87605024) is [2-(hydrazinecarbonyl)-4-methoxy-3-nitrobenzoyl] 3,4-diphenylfuran-2-carboxylate.
What is the SMILES notation for [2-(hydrazinecarbonyl)-4-methoxy-3-nitrobenzoyl] 3,4-diphenylfuran-2-carboxylate?
The canonical SMILES for [2-(hydrazinecarbonyl)-4-methoxy-3-nitrobenzoyl] 3,4-diphenylfuran-2-carboxylate is COc1ccc(C(=O)OC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)c(C(=O)NN)c1[N+](=O)[O-].
What is the InChIKey of [2-(hydrazinecarbonyl)-4-methoxy-3-nitrobenzoyl] 3,4-diphenylfuran-2-carboxylate?
The InChIKey is FKMULLSDUYJLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O8/c1-35-19-13-12-17(21(24(30)28-27)22(19)29(33)34)25(31)37-26(32)23-20(16-10-6-3-7-11-16)18(14-36-23)15-8-4-2-5-9-15/h2-14H,27H2,1H3,(H,28,30).
What are the key properties of [2-(hydrazinecarbonyl)-4-methoxy-3-nitrobenzoyl] 3,4-diphenylfuran-2-carboxylate?
[2-(hydrazinecarbonyl)-4-methoxy-3-nitrobenzoyl] 3,4-diphenylfuran-2-carboxylate has a molecular weight of 501.45 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydrazinecarbonyl)-4-methoxy-3-nitrobenzoyl] 3,4-diphenylfuran-2-carboxylate is sourced from PubChem (CID 87605024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).